3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid

C7H13NO4S — CID 129048427

IUPAC3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
SMILESO=C1CCCN1CCCS(=O)(=O)O
InChIInChI=1S/C7H13NO4S/c9-7-3-1-4-8(7)5-2-6-13(10,11)12/h1-6H2,(H,10,11,12)
InChIKeyMJCXZOGJDQNWNB-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid

3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid (PubChem CID 129048427) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
PubChem CID129048427
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
SMILESO=C1CCCN1CCCS(=O)(=O)O
InChIInChI=1S/C7H13NO4S/c9-7-3-1-4-8(7)5-2-6-13(10,11)12/h1-6H2,(H,10,11,12)
InChIKeyMJCXZOGJDQNWNB-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-(4-hydroxybutyl)azepan-2-one
CID 43509760

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid (CID 129048427) is 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid is O=C1CCCN1CCCS(=O)(=O)O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid?
The InChIKey is MJCXZOGJDQNWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-7-3-1-4-8(7)5-2-6-13(10,11)12/h1-6H2,(H,10,11,12).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid?
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid is sourced from PubChem (CID 129048427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).